[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O4S/c1-12-17(13(2)23(4)22-12)21-18(25)14(3)28-20(27)15-7-9-24(10-8-15)19(26)16-6-5-11-29-16/h5-6,11,14-15H,7-10H2,1-4H3,(H,21,25)/t14-/m0/s1